2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol

C14H11Cl2F10NO2 — CID 24844546

IUPAC2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol
SMILESCc1cc(C(CO)(C(F)(F)F)C(F)(F)Cl)cc(C(CO)(C(F)(F)F)C(F)(F)Cl)n1
InChIInChI=1S/C14H11Cl2F10NO2/c1-6-2-7(9(4-28,11(15,17)18)13(21,22)23)3-8(27-6)10(5-29,12(16,19)20)14(24,25)26/h2-3,28-29H,4-5H2,1H3
InChIKeyUMERTVLIOYXKRM-UHFFFAOYSA-N
MW486.13 g/mol
LogP4.64
Rot. Bonds6

About 2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol

2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol (PubChem CID 24844546) has the molecular formula C14H11Cl2F10NO2 and a molecular weight of 486.13 g/mol. Its IUPAC name is 2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol
PubChem CID24844546
Molecular FormulaC14H11Cl2F10NO2
Molecular Weight486.13 g/mol
Exact Mass485.00
IUPAC Name2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol
SMILESCc1cc(C(CO)(C(F)(F)F)C(F)(F)Cl)cc(C(CO)(C(F)(F)F)C(F)(F)Cl)n1
InChIInChI=1S/C14H11Cl2F10NO2/c1-6-2-7(9(4-28,11(15,17)18)13(21,22)23)3-8(27-6)10(5-29,12(16,19)20)14(24,25)26/h2-3,28-29H,4-5H2,1H3
InChIKeyUMERTVLIOYXKRM-UHFFFAOYSA-N
XLogP4.64
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.13
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol (CID 24844546) is 2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol is Cc1cc(C(CO)(C(F)(F)F)C(F)(F)Cl)cc(C(CO)(C(F)(F)F)C(F)(F)Cl)n1.
What is the InChIKey of 2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol?
The InChIKey is UMERTVLIOYXKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F10NO2/c1-6-2-7(9(4-28,11(15,17)18)13(21,22)23)3-8(27-6)10(5-29,12(16,19)20)14(24,25)26/h2-3,28-29H,4-5H2,1H3.
What are the key properties of 2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol?
2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol has a molecular weight of 486.13 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 24844546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).